NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6942 8.4249 118.1217 53.1772 40.1036 173.0606 3 D 4.4464 8.2993 118.8119 54.8657 41.6220 173.3250 4 L 4.2666 8.8281 120.2026 55.2565 45.7890 174.5812 5 T 4.4333 8.4617 122.8759 61.8589 69.7699 173.9010 6 L 4.4558 8.2294 126.9467 53.1767 43.0971 176.0200 7 S 4.8625 8.3214 117.0335 55.5224 64.8626 172.2312 8 P 4.5108 0.0000 0.0000 62.9140 31.6332 176.0853 9 I 4.1463 8.3882 115.9847 61.6334 39.3296 174.8177 10 A 4.8996 7.4356 123.0801 51.4980 22.7849 174.7122 11 I 4.8827 8.7964 119.5518 59.5402 41.4016 174.7594 12 I 4.6975 8.3284 125.7269 59.6207 40.4855 173.7955 13 H 5.3786 8.8911 127.2932 55.0728 30.0510 174.4668 14 T 4.7241 8.7049 119.2046 61.2807 72.3173 172.5452 15 P 3.4329 0.0000 0.0000 65.4809 31.6648 175.9125 16 Y 4.5898 6.8431 116.7115 57.6959 37.3430 176.4689 17 K 4.1129 8.1961 126.2495 58.1518 32.5929 176.9774 18 E 4.9023 7.8336 114.8392 53.7412 33.1550 176.5274 19 K 3.9727 8.7294 117.7148 59.5986 32.1547 179.5179 20 F 4.5323 8.3190 119.3075 61.1179 39.3875 175.9953 21 S 4.1821 7.8026 115.0070 59.9135 62.9654 174.3190 22 V 2.8423 7.2635 121.3144 60.9391 31.8832 174.0615 23 P 4.2800 0.0000 0.0000 62.3182 31.7984 177.4718 24 R 4.1249 8.2896 119.3401 58.0543 30.7612 177.4322 25 Q 4.5104 7.4494 116.3956 53.0830 28.0169 173.7579 26 P 4.3382 0.0000 0.0000 65.2389 32.0445 178.6725 27 N 4.4832 8.0173 114.2161 55.5261 38.9049 176.4492 28 L 4.0067 7.7270 117.7540 57.4815 41.7001 177.7418 29 V 3.7892 7.1831 122.0056 62.9039 30.0583 175.7509 30 E 4.4043 8.6886 123.4874 57.0801 29.7518 177.1958 31 D 4.6601 8.0194 118.4425 54.8303 43.2956 177.2402 32 G 4.3275 7.7016 108.7760 44.4636 0.0000 172.8002 33 V 5.1238 6.4240 118.3554 61.6097 33.8573 175.7010 34 G 4.3422 8.3323 109.6241 44.6773 0.0000 171.1694 35 I 5.0906 8.3496 120.2645 59.2416 40.8027 174.7975 36 V 4.4873 8.8933 127.3151 61.3505 33.4437 173.8681 37 E 4.8806 9.0774 130.0181 54.3941 31.2712 174.7302 38 L 4.6697 8.0504 127.8942 54.6830 42.4070 177.1062 39 L 4.5631 8.9943 124.1718 52.9647 43.7129 174.7985 40 P 5.2195 0.0000 0.0000 61.8938 31.8339 174.9274 41 P 4.8156 0.0000 0.0000 62.9881 31.8499 175.9116 42 Y 4.5331 7.4517 117.8928 60.2187 38.9388 176.4454 43 N 4.7216 7.9399 119.3903 52.5948 37.5012 174.5513 44 S 5.0558 7.7042 112.7314 56.9666 65.5501 173.4908 45 P 4.3695 0.0000 0.0000 65.3987 31.7874 178.6419 46 E 4.0754 8.2726 117.7793 59.1268 29.5953 178.7450 47 A 4.1887 7.8147 120.2258 54.2668 18.6216 178.2797 48 V 4.3547 7.4520 106.4840 60.6022 32.7278 174.9332 49 R 3.9476 7.7509 120.8471 58.6264 29.9028 176.6570 50 G 4.1238 9.1481 113.6220 44.9783 0.0000 174.1475 51 L 4.1735 8.3628 123.7804 57.8099 42.2559 178.5654 52 E 4.2061 8.2279 115.3233 58.0968 29.7727 178.8053 53 Q 3.8063 8.0143 119.2922 59.1422 28.8532 177.0321 54 F 4.5065 7.4681 114.9408 57.4180 39.8154 175.7003 55 S 4.5813 8.7421 117.1940 59.6561 64.7743 173.3490 56 H 5.3227 8.2869 116.4255 53.8492 32.7509 172.5570 57 L 5.3670 8.8714 119.8109 52.9236 46.6120 175.2614 58 W 5.5108 9.5243 120.3378 55.0733 32.1002 174.8129 59 L 5.2819 9.2977 124.5747 53.1732 43.6685 176.1307 60 I 4.6449 8.8864 126.1009 60.2323 38.6737 174.7436 61 F 5.2014 8.7838 124.3827 54.9819 41.5249 173.6129 62 Q 4.5617 8.2782 120.6273 54.9973 29.3914 175.8844 *86 V 3.8985 8.2546 119.3779 60.7313 33.1171 175.6574 87 G 3.7576 8.1015 109.1260 45.1634 0.0000 174.7420 88 V 3.3795 8.2250 120.0962 66.2098 31.1487 178.6240 89 F 4.5083 7.3342 114.7314 59.7910 38.8893 176.4354 90 A 4.4430 7.7834 118.9970 53.4779 19.0649 176.2915 91 S 4.8242 8.1010 111.2077 56.8201 65.8552 174.6532 92 R 4.5147 8.4604 119.8701 56.1596 30.3591 175.9196 93 A 4.1533 7.4193 121.7326 52.8817 18.8093 178.4773 94 T 4.2232 8.1362 108.6727 63.8956 69.7334 175.7233 95 H 4.5903 7.7761 119.0398 55.5116 26.4662 174.2740 96 R 4.7343 7.7249 121.0030 53.0518 33.9492 174.1363 97 P 4.2947 0.0000 0.0000 65.2675 31.4251 176.4476 98 N 4.8135 7.8058 113.9752 50.7581 40.8657 173.9316 99 P 4.5231 0.0000 0.0000 62.0870 30.5494 177.2971 100 L 4.4251 7.7772 119.1085 55.0383 42.5153 176.5857 101 G 3.5559 7.4845 114.1386 44.2002 0.0000 170.8386 *103 S 4.9123 8.4459 114.2329 58.1595 63.8957 173.8363 104 K 5.0364 8.6278 126.9085 55.1377 33.2138 176.2670 105 V 4.4502 8.0916 117.7611 59.0431 35.6236 174.2993 106 E 4.3682 8.4813 123.1595 55.6192 31.0659 174.8121 107 L 4.6405 8.7633 130.0335 54.2980 42.0575 175.8683 108 R 4.3585 8.5884 126.4460 58.1613 31.7252 177.3768 109 Q 4.3764 7.7055 116.5935 55.2252 32.6273 173.1290 110 V 4.5021 8.6905 127.3770 61.8064 32.3548 174.1591 111 E 4.6901 9.6497 130.7382 54.7755 31.5022 174.1620 112 C 5.4220 8.7508 124.7616 57.9317 30.7588 173.8995 113 I 4.2786 8.9132 118.0668 60.7365 39.8609 174.8111 114 N 3.9170 9.8367 125.3525 54.3470 35.8303 174.8326 115 G 3.9033 8.2065 100.0312 46.1144 0.0000 172.4058 116 N 4.7173 7.9957 117.4350 50.9386 40.7888 173.3876 117 I 4.8645 7.7893 123.6375 59.4474 40.0751 174.3727 118 F 5.1941 9.2554 126.4523 55.6973 42.0427 174.6136 119 L 4.8803 9.0294 125.3601 53.6521 42.6885 175.8770 120 H 4.8728 9.5868 123.5765 55.4002 29.3725 175.7339 121 L 4.7142 8.8404 125.7148 53.0207 43.7728 178.1882 122 G 4.1974 8.8148 108.6287 46.7971 0.0000 176.1953 123 A 4.9028 8.7464 131.5353 51.3201 18.8028 177.1288 124 V 4.2992 8.6306 116.7539 60.4498 33.8888 175.7665 125 D 4.7356 8.2411 115.8170 52.8435 40.5638 175.3803 126 L 4.1633 7.6661 119.9854 53.7712 42.7362 177.0639 127 V 4.0551 7.9806 121.5071 61.0092 32.2755 175.0338 128 D 4.2554 8.7824 121.5369 56.2415 41.2596 177.2856 129 G 3.9961 9.2502 114.3371 45.4704 0.0000 173.7673 130 T 3.9872 7.4181 117.7025 63.3119 69.8625 171.8640 131 P 4.7777 0.0000 0.0000 62.5281 32.8718 175.1363 132 I 4.4736 8.7269 125.7625 60.2051 38.4609 176.5132 133 F 4.8157 9.4036 126.0143 59.2944 40.3444 175.6791 134 D 4.7112 7.8469 115.5844 53.1635 44.7143 174.3217 135 I 5.1241 8.3767 123.8655 59.7060 39.9210 174.8538 136 K 4.7796 9.0874 126.0472 53.8591 36.2010 173.6816 137 P 4.6915 0.0000 0.0000 61.9156 32.4282 175.3562 138 Y 4.4041 8.6134 126.2712 57.2752 39.3620 174.6864 139 I 4.4534 8.2267 128.1934 59.3060 38.8694 176.8660 140 A 4.1607 8.9258 128.9296 55.3689 17.8966 177.6773 141 Y 3.8499 7.5385 116.0322 60.7268 39.2996 176.9274 142 A 4.2873 8.1074 126.1713 54.3867 19.1876 177.9065 143 D 4.6694 7.9090 114.4271 55.0500 42.1689 176.9555 144 S 4.5967 7.7394 113.7852 57.7431 63.2192 174.4544 145 E 4.7778 8.4163 127.3226 54.0956 30.3032 172.8656 146 P 4.2639 0.0000 0.0000 65.5641 31.8859 177.4866 147 N 4.5096 8.1114 111.0244 53.2287 38.3205 174.1475 148 A 3.8972 7.4954 122.5426 52.7121 18.0828 178.2054 149 Q 4.5569 8.3465 120.9873 56.3867 31.0247 177.0327 150 S 4.6429 7.6700 118.1335 58.4234 63.2018 176.1336 151 S 4.1395 8.5540 122.9099 61.8978 63.2416 176.0290 *159 V 3.8232 7.2241 121.1097 61.2656 32.5080 175.8074 160 K 4.0653 8.1374 120.1313 56.4331 32.6841 175.2066 161 M 4.7900 7.8103 125.2042 53.6990 34.3881 175.9917 162 T 4.1637 8.3159 112.3596 61.4531 70.8373 173.2941 163 V 4.3607 8.1403 124.1304 61.0860 33.2511 174.1672 164 E 4.4918 8.4908 128.1941 54.2254 32.8001 174.2187 165 F 5.3699 8.4303 124.1076 55.6751 41.6581 175.6056 166 T 4.1798 8.6596 113.5662 61.2688 70.1111 175.1630 167 E 3.9679 8.9448 122.0684 59.6063 29.5875 178.5473 168 Q 3.9773 8.1310 118.8359 58.9014 29.0373 178.0294 169 A 3.9573 7.8398 121.3955 55.2738 18.5364 179.5044 170 K 3.5151 8.5009 117.4061 59.7740 32.1810 179.5191 171 S 3.9826 8.0161 112.6422 61.3092 62.3311 176.0291 172 A 3.9361 7.9357 123.5068 55.1460 17.9845 179.8097 173 V 3.3961 7.9391 117.1102 65.7963 31.3159 178.1069 174 K 3.7979 7.4597 118.1078 59.4357 32.0821 178.4096 175 K 4.0362 7.7217 118.5138 59.0612 32.3924 178.2307 176 R 4.2735 7.4828 115.4440 56.9883 30.3481 177.7617 177 E 4.1077 7.7249 119.4289 58.2932 29.2807 178.4789 178 E 4.0189 7.8724 117.7179 59.6722 29.8711 178.6464 179 K 4.2534 7.9006 116.4817 58.0688 33.0439 178.5625 180 R 4.3124 7.8904 124.4263 53.2580 29.2898 173.4171 181 P 4.3641 0.0000 0.0000 63.6313 32.2905 176.9479 182 H 4.2802 8.9243 116.7363 56.8113 26.5574 176.8398 183 L 4.2518 7.5580 122.1712 58.0398 41.9515 178.9367 184 S 4.2172 8.1853 113.2465 61.3312 62.4147 175.9729 185 R 4.1892 7.9758 116.4416 58.2871 29.4689 177.6329 186 F 4.8281 8.1041 120.9023 59.7790 40.5951 175.4901 187 I 3.9870 7.4445 120.5066 60.1036 35.2765 175.3070 188 R 4.5181 7.5275 116.9590 55.5881 32.4254 176.9974 189 Q 3.9236 7.6960 118.2453 58.7846 29.2238 178.5079 190 V 2.9221 7.1806 116.5432 65.0512 31.9388 176.9352 191 L 4.0725 7.2122 119.2174 55.6050 41.2667 177.4093 192 E 4.5476 7.6807 116.6429 55.0226 31.1373 176.5354 *206 D 4.4534 8.1545 117.2347 52.2248 40.8444 176.5273 207 R 3.9051 7.6712 119.0761 54.8602 31.9873 172.7781 208 I 4.1460 6.7906 121.7660 58.4301 38.3269 174.1289 209 Y 4.2835 6.6278 121.9859 56.9034 39.6696 174.3591 210 G 4.6512 8.5165 107.6371 44.8765 0.0000 172.1196 211 M 5.0988 9.0117 122.1498 54.0670 34.7139 173.7926 212 S 5.1127 9.0173 122.6840 57.8070 64.7661 173.2627 213 L 5.0045 8.4245 125.1038 53.9376 44.8539 176.3909 214 Y 3.6550 8.5009 122.5339 58.7322 36.7787 170.7997 215 E 3.9414 8.5449 120.8073 59.3999 29.8256 177.0516 216 F 4.8791 7.4538 118.2531 56.9117 39.4755 174.5276 217 N 5.3256 8.4791 118.1109 51.7897 41.4720 173.1784 218 V 4.2781 9.0687 124.6618 62.1292 32.9182 174.5620 219 K 5.2977 8.6204 127.6422 55.0120 33.8149 175.4980 220 W 5.3021 8.9301 122.7097 54.8116 31.4270 173.8910 *224 A 4.7389 8.1250 120.8631 52.3033 19.3419 176.7838 225 G 4.4326 8.6073 109.4382 44.6252 0.0000 171.4392 226 T 5.2469 8.5317 113.1179 59.7345 71.3119 173.6110 227 V 4.1041 8.6989 127.0614 61.3544 32.5627 175.4186 228 N 4.7701 9.7857 125.8899 53.9278 37.7277 174.2202 229 C 4.8318 7.9172 115.6560 57.7563 35.4515 172.6671 230 V 4.5121 8.4549 126.2290 61.6552 32.3365 175.0832 231 E 4.4037 8.3791 128.7546 56.7235 29.4409 174.4621 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 N 8.42 4.69 0.00 2.71 2.86 0.00 0.00 6.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.30 4.45 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.83 4.27 0.00 1.48 1.42 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.46 4.43 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 L 8.23 4.46 0.00 1.22 1.20 -0.10 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.32 4.86 0.00 4.11 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.51 0.00 2.11 1.98 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 9 I 8.39 4.15 1.53 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.07 0.05 0.00 0.00 10 A 7.44 4.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.80 4.88 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.68 0.95 0.00 0.00 12 I 8.33 4.70 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.31 0.90 0.00 0.00 13 H 8.89 5.38 0.00 3.12 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.70 4.72 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 15 P 0.00 3.43 0.00 1.32 0.91 0.00 3.01 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 16 Y 6.84 4.59 0.00 3.10 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.20 4.11 0.00 1.91 1.92 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.68 7.81 18 E 7.83 4.90 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 19 K 8.73 3.97 0.00 1.92 1.97 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.49 7.81 20 F 8.32 4.53 0.00 2.91 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.80 4.18 0.00 4.16 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.26 2.84 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.72 0.00 0.00 23 P 0.00 4.28 0.00 2.08 1.89 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 24 R 8.29 4.12 0.00 1.75 1.95 0.00 3.13 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 25 Q 7.45 4.51 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 26 P 0.00 4.34 0.00 2.16 2.29 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 27 N 8.02 4.48 0.00 2.69 2.86 0.00 0.00 6.96 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.73 4.01 0.00 1.65 1.70 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.18 3.79 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.96 0.00 0.00 30 E 8.69 4.40 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 31 D 8.02 4.66 0.00 2.91 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.70 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 6.42 5.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.89 0.00 0.00 34 G 8.33 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.35 5.09 1.94 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.74 1.00 0.00 0.00 36 V 8.89 4.49 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.93 0.00 0.00 37 E 9.08 4.88 0.00 2.22 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.93 0.00 38 L 8.05 4.67 0.00 1.50 1.61 0.93 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.99 4.56 0.00 1.72 1.63 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 5.22 0.00 1.98 1.90 0.00 3.71 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 41 P 0.00 4.82 0.00 1.94 1.96 0.00 2.23 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 42 Y 7.45 4.53 0.00 3.08 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 7.94 4.72 0.00 2.80 3.08 0.00 0.00 5.92 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.70 5.06 0.00 4.02 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.37 0.00 2.21 2.16 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 46 E 8.27 4.08 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 47 A 7.81 4.19 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.45 4.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.96 0.00 0.00 49 R 7.75 3.95 0.00 1.95 1.99 0.00 3.30 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 50 G 9.15 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.36 4.17 0.00 2.05 1.76 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.23 4.21 0.00 2.24 2.21 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 7.91 4.67 0.00 1.93 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 7.74 4.60 0.00 4.03 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.42 4.78 0.00 2.06 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 146 P 0.00 4.26 0.00 2.08 2.12 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 147 N 8.11 4.51 0.00 2.70 2.85 0.00 0.00 6.82 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.50 3.90 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.35 4.56 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.73 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 150 S 7.67 4.64 0.00 3.80 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 8.55 4.14 0.00 3.98 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *159 V 7.22 3.82 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.92 0.00 0.00 160 K 8.14 4.07 0.00 1.73 1.69 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.38 7.81 161 M 7.81 4.79 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 162 T 8.32 4.16 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 163 V 8.14 4.36 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.72 0.00 0.00 164 E 8.49 4.49 0.00 1.99 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 165 F 8.43 5.37 0.00 2.90 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 T 8.66 4.18 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 167 E 8.94 3.97 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 168 Q 8.13 3.98 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 169 A 7.84 3.96 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 K 8.50 3.52 0.00 1.91 1.83 0.00 1.89 0.00 0.00 1.61 0.00 0.00 3.19 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.77 7.81 171 S 8.02 3.98 0.00 3.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 A 7.94 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 V 7.94 3.40 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.73 0.00 0.00 174 K 7.46 3.80 0.00 1.76 2.00 0.00 1.70 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.44 7.81 175 K 7.72 4.04 0.00 1.79 1.93 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 176 R 7.48 4.27 0.00 1.86 1.82 0.00 3.19 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.77 0.00 177 E 7.72 4.11 0.00 2.18 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 178 E 7.87 4.02 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 179 K 7.90 4.25 0.00 1.74 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.48 7.81 180 R 7.89 4.31 0.00 1.80 1.62 0.00 2.66 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.66 0.00 181 P 0.00 4.36 0.00 2.04 1.96 0.00 3.37 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 182 H 8.92 4.28 0.00 3.52 3.72 0.00 5.82 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.56 4.25 0.00 1.94 1.69 0.75 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 184 S 8.19 4.22 0.00 3.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 R 7.98 4.19 0.00 2.08 2.14 0.00 3.14 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.10 0.00 186 F 8.10 4.83 0.00 3.33 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 I 7.44 3.99 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.90 0.72 0.00 0.00 188 R 7.53 4.52 0.00 1.72 1.85 0.00 3.33 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.89 0.00 189 Q 7.70 3.92 0.00 1.73 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.90 0.00 0.00 0.00 0.00 0.00 2.18 1.79 0.00 190 V 7.18 2.92 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 -0.18 0.00 0.00 191 L 7.21 4.07 0.00 1.71 1.60 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 192 E 7.68 4.55 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 *206 D 8.15 4.45 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 R 7.67 3.91 0.00 1.58 1.66 0.00 3.27 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.92 0.00 208 I 6.79 4.15 1.70 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.74 0.00 0.00 209 Y 6.63 4.28 0.00 1.43 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 G 8.52 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 M 9.01 5.10 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 212 S 9.02 5.11 0.00 3.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 L 8.42 5.00 0.00 1.80 1.80 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 214 Y 8.50 3.65 0.00 3.05 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 E 8.54 3.94 0.00 1.32 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 216 F 7.45 4.88 0.00 3.50 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 N 8.48 5.33 0.00 2.95 2.82 0.00 0.00 6.43 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 V 9.07 4.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.05 0.00 0.00 219 K 8.62 5.30 0.00 1.88 1.75 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.47 7.81 220 W 8.93 5.30 0.00 3.35 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *224 A 8.13 4.74 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 G 8.61 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 T 8.53 5.25 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 227 V 8.70 4.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.17 0.00 0.00 228 N 9.79 4.77 0.00 2.75 2.81 0.00 0.00 6.76 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 C 7.92 4.83 0.00 2.99 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 V 8.45 4.51 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.90 0.00 0.00 231 E 8.38 4.40 0.00 2.23 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.